
 CHEMBL337875

 95 95  0  0  0  0  0  0  0  0999 V2000
    0.7440    0.4819   -1.6765 C   0  0  0  0  0
    1.3289    1.6838   -2.4151 C   0  0  0  0  0
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    9.8570    2.0285   -4.0031 H   0  0  0  0  0
   10.7739    0.6228   -4.5748 H   0  0  0  0  0
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    4.2703   -5.5739   -4.3137 H   0  0  0  0  0
    3.6802   -4.0977   -5.0698 H   0  0  0  0  0
    3.0435   -3.1691   -2.8601 H   0  0  0  0  0
    3.7689   -4.5436   -2.0370 H   0  0  0  0  0
    2.1159   -6.0850   -3.1897 H   0  0  0  0  0
    1.4172   -4.6962   -3.9944 H   0  0  0  0  0
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    2.2030   -6.4680    0.3935 H   0  0  0  0  0
   -0.3869   -4.4753   -0.1449 H   0  0  0  0  0
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    8.1162   -4.2066   -3.8512 H   0  0  0  0  0
    8.4370   -4.7457   -5.4690 H   0  0  0  0  0
    4.0444    3.5031   -0.0976 H   0  0  0  0  0
    7.2562    3.0956    1.3983 H   0  0  0  0  0
    5.9975    4.6669   -0.9531 H   0  0  0  0  0
    7.4450    3.7070   -1.0532 H   0  0  0  0  0
    9.5667    4.4929    0.0185 H   0  0  0  0  0
   10.9066    6.5086    0.4987 H   0  0  0  0  0
    9.8025    8.7149    0.7499 H   0  0  0  0  0
    7.3384    8.9008    0.5324 H   0  0  0  0  0
    5.9833    6.9032    0.0380 H   0  0  0  0  0
    4.9938    5.0333    1.4076 H   0  0  0  0  0
    3.6429    4.5463    3.8008 H   0  0  0  0  0
    5.9440    5.8008    5.4032 H   0  0  0  0  0
    5.1225    4.2950    5.8227 H   0  0  0  0  0
    4.2238    5.8181    5.8375 H   0  0  0  0  0
    5.4172    6.8122    3.2019 H   0  0  0  0  0
    3.8700    6.9403    3.6622 H   0  0  0  0  0
  1  2  1  0  0  0
  1 45  1  0  0  0
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  1 47  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL337875

>  <PubChem CID>
11758525

>  <Formula>
C30H51N9O5

>  <Molecular Weight>
617.796000

>  <IUPAC Name>
(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide

>  <XlogP>
-0.800

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)N

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N

>  <InChI Std. ID>
InChI=1S/C30H51N9O5/c1-17(2)14-22(27(42)36-21(25(32)40)12-9-13-35-30(33)34)38-28(43)23(15-18(3)4)39-29(44)24(37-26(41)19(5)31)16-20-10-7-6-8-11-20/h6-8,10-11,17-19,21-24H,9,12-16,31H2,1-5H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H,39,44)(H4,33,34,35)/t19-,21-,22-,23-,24-/m0/s1

>  <InChI Key>
BFBVBPGZHZLSEB-DUSBTPNUSA-N

